2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C14H24N2O — CID 752762

IUPAC2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12CN3CC(C)(CN(C1)C3(C)C)C2=O
InChIInChI=1S/C14H24N2O/c1-5-6-14-9-15-7-13(4,11(14)17)8-16(10-14)12(15,2)3/h5-10H2,1-4H3
InChIKeySOIOAIMIDTZBIC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.73
Rot. Bonds2

About 2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 752762) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID752762
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12CN3CC(C)(CN(C1)C3(C)C)C2=O
InChIInChI=1S/C14H24N2O/c1-5-6-14-9-15-7-13(4,11(14)17)8-16(10-14)12(15,2)3/h5-10H2,1-4H3
InChIKeySOIOAIMIDTZBIC-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 752762) is 2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCCC12CN3CC(C)(CN(C1)C3(C)C)C2=O.
What is the InChIKey of 2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is SOIOAIMIDTZBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-6-14-9-15-7-13(4,11(14)17)8-16(10-14)12(15,2)3/h5-10H2,1-4H3.
What are the key properties of 2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 236.36 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-7-propyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 752762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).